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CAS No.: | 22830-45-1 |
---|---|
Name: | FERROUS GLUCONATE DIHYDRATE |
Article Data: | 1 |
Molecular Structure: | |
Formula: | C6H12O7·1/2 Fe·H2O |
Molecular Weight: | 482.176 |
Synonyms: | Gluconicacid, iron(2+) salt, dihydrate, D- (8CI);Iron(II) gluconate dihydrate;D-Gluconic acid iron(II) salt dihydrate;D-Gluconic acid,iron(2+) salt, dihydrate (9CI);Iron(2+) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate (1:2:2); |
EINECS: | 206-076-3 |
Density: | 1.14 |
Melting Point: | 188 °C (dec.)(lit.) |
Boiling Point: | 673.6 °C at 760 mmHg |
Flash Point: | 375.2 °C |
Solubility: | 1 g per 10 ml in warm water, hardly soluble in alcohol |
Appearance: | Pale yellow gray or green yellow particles or powder |
Safety: | 24/25 |
PSA: | 301.02000 |
LogP: | -9.78670 |
Conditions | Yield |
---|---|
In water (N2); Fe compd. and Ba compd. were dissolved in H2O at 60°C undervigorous stirring; filtered; washed (distd. H2O); dried (vac.); elem. anal.; |
ferrous gluconate dihydrate
iron(II) oxide
Conditions | Yield |
---|---|
In neat (no solvent, solid phase) gluconate was isothermally heated at 200°C for 2 h under dynamic N2; |
ferrous gluconate dihydrate
Conditions | Yield |
---|---|
In neat (no solvent, solid phase) gluconate was isothermally heated at 500°C for 2 h under dynamic N2; |
ferrous gluconate dihydrate
Conditions | Yield |
---|---|
With H2O In neat (no solvent, solid phase) gluconate was isothermally heated at 360°C for 1 h under dynamic air with water vapour; |
ferrous gluconate dihydrate
Conditions | Yield |
---|---|
In neat (no solvent, solid phase) gluconate was isothermally heated at 421°C; |
ferrous gluconate dihydrate
Conditions | Yield |
---|---|
In neat (no solvent, solid phase) gluconate was isothermally heated at 160°C under static air atm; |
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OSHA PEL: TWA 1 mg(Fe)/m3
ACGIH TLV: TWA 1 mg(Fe)/m3
The D-gluconic acid, iron(2+) salt, hydrate (2:1:1), with the CAS registry number 22830-45-1, is also known as Iron(II) gluconate dihydrate. It belongs to the product categories of Biochemistry; Classes of Metal Compounds; Fe (Iron) Compounds; Glucose; Sugar Acids; Sugars; Transition Metal Compounds. Its EINECS number is 206-076-3. This chemical's molecular formula is C6H12O7·1/2 Fe·H2O and molecular weight is 482.17. What's more, its systematic name is iron(2+) (2R,3S,4R,5R)-2,3,4,5,6-pentahydroxyhexanoate hydrate (1:2:2). Its classification code is Mutation data. It should be sealed and stored in a cool and dry place. Moreover, it should be protected from oxides.
Physical properties of D-gluconic acid, iron(2+) salt, hydrate (2:1:1) are: (1)ACD/LogP: -3.18; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 7; (4)#H bond donors: 6; (5)#Freely Rotating Bonds: 10; (6)Polar Surface Area: 83.45 Å2; (7)Flash Point: 375.2 °C; (8)Enthalpy of Vaporization: 113.2 kJ/mol; (9)Boiling Point: 673.6 °C at 760 mmHg; (10)Vapour Pressure: 4.95E-21 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: [Fe+2].[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.[O-]C(=O)[C@H](O)[C@@H](O)[C@H](O)[C@H](O)CO.O.O
(2)Std. InChI: InChI=1S/2C6H12O7.Fe.2H2O/c2*7-1-2(8)3(9)4(10)5(11)6(12)13;;;/h2*2-5,7-11H,1H2,(H,12,13);;2*1H2/q;;+2;;/p-2/t2*2-,3-,4+,5-;;;/m11.../s1
(3)Std. InChIKey: OKGNXSFAYMSVNN-SYAJEJNSSA-L
The toxicity data is as follows:
Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
---|---|---|---|---|---|
guinea pig | LD50 | oral | 2100mg/kg (2100mg/kg) | WHO Food Additives Series. Vol. 8, Pg. 26, 1975. | |
mouse | LD50 | intravenous | 98mg/kg (98mg/kg) | BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD LUNGS, THORAX, OR RESPIRATION: RESPIRATORY DEPRESSION | American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955. |
mouse | LD50 | oral | 3700mg/kg (3700mg/kg) | American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955. | |
rabbit | LD50 | oral | 3500mg/kg (3500mg/kg) | WHO Food Additives Series. Vol. 8, Pg. 26, 1975. | |
rat | LD50 | oral | 4500mg/kg (4500mg/kg) | American Journal of the Medical Sciences. Vol. 230, Pg. 491, 1955. |